Suchergebnisse - "Grishina, Maria A"

PubPharm (15)

1

The design of compounds with desirable properties - The anti-HIV case study

enthalten in: Journal of computational chemistry | 2023

von Novak, J. | Pathak, P. | Grishina, M. | +1

2

Exploring potential inhibitors against Kyasanur forest disease by utilizing molecular dynamics simulations and ensemble docking

enthalten in: Journal of biomolecular structure & dynamics | 2022

von Kandagalla, S. | Novak, J. | Shekarappa, S. | +3

3

Complementarity principle in terms of electron density for the study of EGFR complexes

enthalten in: Future medicinal chemistry | 2021

von Kandagalla, S. | Rimac, H. | Potemkin, V. | +1

4

Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database

enthalten in: Future medicinal chemistry | 2021

von Novak, J. | Rimac, H. | Kandagalla, S. | +2

5

The Influence of Hydrogen Atoms on the Performance of Radial Distribution Function-Based Descriptors in the Chemoinformatic Studies of HIV-1 Protease Complexes with Inhibitors

enthalten in: Current drug discovery technologies | 2021

von Novak, J. | Grishina, M. | Potemkin, V.

6

Computational insights into the binding mode of curcumin analogues against EP300 HAT domain as potent acetyltransferase inhibitors

enthalten in: Journal of molecular graphics & modelling | 2020

von Kandagalla, S. | Shekarappa, S. | Rimac, H. | +3

7

Electron density analysis of CDK complexes using the AlteQ method

enthalten in: Future medicinal chemistry | 2020

von Rimac, H. | Grishina, M. | Potemkin, V.

8

Novel radial distribution function approach in the study of point mutations : the HIV-1 protease case study

enthalten in: Future medicinal chemistry | 2020

von Novak, J. | Grishina, M. | Potemkin, V.

9

Performance of radial distribution function-based descriptors in the chemoinformatic studies of HIV-1 protease

enthalten in: Future medicinal chemistry | 2020

von Novak, J. | Grishina, M. | Potemkin, V. | +1

10

Nonparametric chemical descriptors for the calculation of ligand-biopolymer affinities with machine-learning scoring functions

enthalten in: Journal of computer-aided molecular design | 2019

von Moman, E. | Grishina, M. | Potemkin, V.